2-amino-7,7-dimethyl-5-oxo-1,4-diphenyl-6,8-dihydro-4H-quinoline-3-carbonitrile

C24H23N3O — CID 3337127

IUPAC2-amino-7,7-dimethyl-5-oxo-1,4-diphenyl-6,8-dihydro-4H-quinoline-3-carbonitrile
SMILESCC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(N)=C(C#N)C2c1ccccc1
InChIInChI=1S/C24H23N3O/c1-24(2)13-19-22(20(28)14-24)21(16-9-5-3-6-10-16)18(15-25)23(26)27(19)17-11-7-4-8-12-17/h3-12,21H,13-14,26H2,1-2H3
InChIKeyXINMPGIIQPVXES-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.63
Rot. Bonds2

About 2-amino-7,7-dimethyl-5-oxo-1,4-diphenyl-6,8-dihydro-4H-quinoline-3-carbonitrile

2-amino-7,7-dimethyl-5-oxo-1,4-diphenyl-6,8-dihydro-4H-quinoline-3-carbonitrile (PubChem CID 3337127) has the molecular formula C24H23N3O and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-amino-7,7-dimethyl-5-oxo-1,4-diphenyl-6,8-dihydro-4H-quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-7,7-dimethyl-5-oxo-1,4-diphenyl-6,8-dihydro-4H-quinoline-3-carbonitrile
PubChem CID3337127
Molecular FormulaC24H23N3O
Molecular Weight369.47 g/mol
Exact Mass369.18
IUPAC Name2-amino-7,7-dimethyl-5-oxo-1,4-diphenyl-6,8-dihydro-4H-quinoline-3-carbonitrile
SMILESCC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(N)=C(C#N)C2c1ccccc1
InChIInChI=1S/C24H23N3O/c1-24(2)13-19-22(20(28)14-24)21(16-9-5-3-6-10-16)18(15-25)23(26)27(19)17-11-7-4-8-12-17/h3-12,21H,13-14,26H2,1-2H3
InChIKeyXINMPGIIQPVXES-UHFFFAOYSA-N
XLogP4.63
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7,7-dimethyl-5-oxo-1,4-diphenyl-6,8-dihydro-4H-quinoline-3-carbonitrile?
The IUPAC name of 2-amino-7,7-dimethyl-5-oxo-1,4-diphenyl-6,8-dihydro-4H-quinoline-3-carbonitrile (CID 3337127) is 2-amino-7,7-dimethyl-5-oxo-1,4-diphenyl-6,8-dihydro-4H-quinoline-3-carbonitrile.
What is the SMILES notation for 2-amino-7,7-dimethyl-5-oxo-1,4-diphenyl-6,8-dihydro-4H-quinoline-3-carbonitrile?
The canonical SMILES for 2-amino-7,7-dimethyl-5-oxo-1,4-diphenyl-6,8-dihydro-4H-quinoline-3-carbonitrile is CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(N)=C(C#N)C2c1ccccc1.
What is the InChIKey of 2-amino-7,7-dimethyl-5-oxo-1,4-diphenyl-6,8-dihydro-4H-quinoline-3-carbonitrile?
The InChIKey is XINMPGIIQPVXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O/c1-24(2)13-19-22(20(28)14-24)21(16-9-5-3-6-10-16)18(15-25)23(26)27(19)17-11-7-4-8-12-17/h3-12,21H,13-14,26H2,1-2H3.
What are the key properties of 2-amino-7,7-dimethyl-5-oxo-1,4-diphenyl-6,8-dihydro-4H-quinoline-3-carbonitrile?
2-amino-7,7-dimethyl-5-oxo-1,4-diphenyl-6,8-dihydro-4H-quinoline-3-carbonitrile has a molecular weight of 369.47 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7,7-dimethyl-5-oxo-1,4-diphenyl-6,8-dihydro-4H-quinoline-3-carbonitrile is sourced from PubChem (CID 3337127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).